CID 473616

Ak.117

Structural Information

Molecular Formula
C25H27N5
SMILES
CCC1=C(N(C(=C1)C2=CC=C(C=C2)C3=NCCN3)C)C4=CC=C(C=C4)C5=NCCN5
InChI
InChI=1S/C25H27N5/c1-3-17-16-22(18-4-8-20(9-5-18)24-26-12-13-27-24)30(2)23(17)19-6-10-21(11-7-19)25-28-14-15-29-25/h4-11,16H,3,12-15H2,1-2H3,(H,26,27)(H,28,29)
InChIKey
VXTNDHZIZWDDMG-UHFFFAOYSA-N
Compound name
2-[4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-ethyl-1-methylpyrrol-2-yl]phenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

397.22665 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.23393 195.2
[M+Na]+ 420.21587 201.7
[M-H]- 396.21937 203.4
[M+NH4]+ 415.26047 203.0
[M+K]+ 436.18981 192.9
[M+H-H2O]+ 380.22391 183.3
[M+HCOO]- 442.22485 209.7
[M+CH3COO]- 456.24050 202.9
[M+Na-2H]- 418.20132 188.4
[M]+ 397.22610 191.3
[M]- 397.22720 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.